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Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH

PubChem AID
412780
Protein Target
Primary Citation
Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors [PMID: 19072235]
Source
External ID
BioAssay Type
Confirmatory
Tested Substances
Tested Compounds
Version
Status
Live
Dates
  • Deposit:
    2010-05-26
  • Modify:
    2022-08-30
Description
This bioassay record (AID 412780) reports results from the above primary citation. Additional data from the same publication are reported in a total of 3 BioAssay records in PubChem.

1 Description

Title: Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.

Abstract: Suppression of estrogen biosynthesis by aromatase inhibition is an effective approach for the treatment of hormone sensitive breast cancer. Third generation non-steroid aromatase inhibitors have shown important benefits in recent clinical trials with postmenopausal women. In this study we have developed a new ligand-based strategy combining important pharmacophoric and structural features according to the postulated aromatase binding mode, useful for the virtual screening of new potent non-steroid inhibitors. A small subset of promising drug candidates was identified from the large NCI database, and their antiaromatase activity was assessed on an in vitro biochemical assay with aromatase extracted from human term placenta. New potent aromatase inhibitors were discovered to be active in the low nanomolar range, and a common binding mode was proposed. These results confirm the potential of our methodology for a fast in silico high-throughput screening of potent non-steroid aromatase inhibitors.

2 Comment

Compounds with activity <= 10uM or explicitly reported as active by ChEMBL are flagged as active in this PubChem assay presentation.

Journal: J Med Chem

Year: 2009

Volume: 52

Issue: 1

First Page: 143

Last Page: 150

DOI: 10.1021/jm800945c

Target ChEMBL ID: CHEMBL1978

ChEMBL Target Name: Cytochrome P450 19A1

ChEMBL Target Type: SINGLE PROTEIN - Target is a single protein chain

Relationship Type: D - Direct protein target assigned

Confidence: Direct single protein target assigned

3 Result Definitions

4 Data Table

5 Target

Protein Target

8 Identity

8.1 BioAssay Name

Inhibition of human aromatase-mediated conversion of [1beta3H]androstenedione to estrone by liquid scintillation counting in presence of NADPH

8.2 Source

8.3 External ID

8.4 Project Category

Literature, Extracted

8.5 BioAssay Type

Confirmatory

8.6 Deposit Date

2010-05-26

8.7 Modify Date

Version 1.1
Version 2.1
Version 2.2
Version 2.3
Version 2.4
Version 3.1
Version 3.2
Version 3.3
Version 4.1
Version 4.2
Version 5.1
Version 6.1
Version 7.1
Version 8.1
Version 8.2
Version 9.1
Version 9.2
Version 9.3
Version 10.1
Version 11.1
Version 11.2
Version 12.1
Version 13.1
2022-08-30 (currently shown)

8.8 Status

Live

9 Same-Publication BioAssays

10 BioAssay Annotations

Assay Type
Binding
Assay Organism

11 Information Sources

  1. PubChem
  2. ChEMBL
    LICENSE
    Access to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).
    http://www.ebi.ac.uk/Information/termsofuse.html
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